5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione

C9H14N2S — CID 170638859

IUPAC5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione
SMILESC=C(NCC)C1=CCCNC1=S
InChIInChI=1S/C9H14N2S/c1-3-10-7(2)8-5-4-6-11-9(8)12/h5,10H,2-4,6H2,1H3,(H,11,12)
InChIKeyATYIZGLBWQMYTH-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.36
Rot. Bonds3

About 5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione

5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione (PubChem CID 170638859) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione.

Molecular Properties

Compound Name5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione
PubChem CID170638859
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione
SMILESC=C(NCC)C1=CCCNC1=S
InChIInChI=1S/C9H14N2S/c1-3-10-7(2)8-5-4-6-11-9(8)12/h5,10H,2-4,6H2,1H3,(H,11,12)
InChIKeyATYIZGLBWQMYTH-UHFFFAOYSA-N
XLogP1.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione?
The IUPAC name of 5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione (CID 170638859) is 5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione.
What is the SMILES notation for 5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione?
The canonical SMILES for 5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione is C=C(NCC)C1=CCCNC1=S.
What is the InChIKey of 5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione?
The InChIKey is ATYIZGLBWQMYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-3-10-7(2)8-5-4-6-11-9(8)12/h5,10H,2-4,6H2,1H3,(H,11,12).
What are the key properties of 5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione?
5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione has a molecular weight of 182.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethenyl]-2,3-dihydro-1H-pyridine-6-thione is sourced from PubChem (CID 170638859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).